3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid
TL;DR: 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid (CAS 162665-04-5) is a chemical compound with molecular formula C19H14O7 and molecular weight 354.07394 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid
Also Known As: 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid, 3-(BENZO[D][1,3]DIOXOL-5-YL)-6-ETHYL-7-HYDROXY-4-OXO-4H-CHROMENE-2-CARBOXYLIC ACID, 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxo-4H-1-Benzopyran-2-carboxylic acid, Quinolinium,1,1'-(1,10-decanediyl)bis[4-(dimethylamino), 3-(2H-1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxo-4H-chromene-2-carboxylic acid
Technical Specifications
| Molecular Formula | C19H14O7 |
| Molecular Weight | 354.07394 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.07394 Da |
| Heavy Atoms | 26 |
| Complexity | 627.0 |
| SMILES | CCC1=CC2=C(C=C1O)OC(=C(C2=O)C3=CC4=C(C=C3)OCO4)C(=O)O |
| InChIKey | MWMSCGMRPOIBHX-UHFFFAOYSA-N |
Chemical Property Profile of 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid
Property Insights of 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid
The XLogP value of 3.2 indicates that 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid?
The CAS number of 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid is 162665-04-5.
What is the molecular formula of 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid?
The molecular formula of 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid is C19H14O7.
What is the molecular weight of 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid?
The molecular weight of 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid is 354.07394 g/mol.
Where can I buy 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid?
You can request a quote for 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-oxochromene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.